Exploration of a binding mode of benzothiazol-2-yl acetonitrile pyrimidine core based derivatives as potent c-jun N-terminal kinase-3 inhibitors and 3D-QSAR analyses

Journal of Chemical Information and Modeling

Volumn 46, Issue 4, 2006, Pages 1763-1774

  Sharma, Pooja ^a   Ghoshal, Nanda ^a  

^a INDIAN INSTITUTE OF CHEMICAL BIOLOGY   (India)

Author keywords

[No Author keywords available]

Indexed keywords

BINDING ENERGY; CONFORMATIONS; DERIVATIVES; FREE ENERGY; HYDROGEN BONDS; MATHEMATICAL MODELS; NITROGEN COMPOUNDS;

APOPTOSIS-RELATED DISORDERS; BENZOTHIAZOL-2-YL ACETONITRILE PYRIMIDINE CORE; C-JUN N-TERMINAL KINASE (JNK); RHEUMATOID ARTHRITIS (RA);

ENZYME INHIBITION;

BENZOTHIAZOLE; BENZOTHIAZOLE DERIVATIVE; ENZYME INHIBITOR; MITOGEN ACTIVATED PROTEIN KINASE 10; PYRIMIDINE DERIVATIVE; THIAZOLE DERIVATIVE;

ARTICLE; BINDING SITE; CHEMICAL STRUCTURE; CHEMISTRY; DRUG ANTAGONISM; QUANTITATIVE STRUCTURE ACTIVITY RELATION;

BENZOTHIAZOLES; BINDING SITES; ENZYME INHIBITORS; MITOGEN-ACTIVATED PROTEIN KINASE 10; MODELS, MOLECULAR; PYRIMIDINES; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; THIAZOLES;

EID: 33746924874     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci060057q     Document Type: Article

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